CID 78403

1-piperidinebutanenitrile

Structural Information

Molecular Formula

C₉H₁₆N₂

SMILES

C1CCN(CC1)CCCC#N

InChI

InChI=1S/C9H16N2/c10-6-2-5-9-11-7-3-1-4-8-11/h1-5,7-9H2

InChIKey

CVROVTGNNDIZNS-UHFFFAOYSA-N

Compound name

4-piperidin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 88
Patents: 152.13135 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.13863	130.9
[M+Na]+	175.12057	137.6
[M-H]-	151.12407	131.8
[M+NH4]+	170.16517	148.5
[M+K]+	191.09451	135.2
[M+H-H2O]+	135.12861	117.9
[M+HCOO]-	197.12955	146.8
[M+CH3COO]-	211.14520	189.1
[M+Na-2H]-	173.10602	136.4
[M]+	152.13080	122.5
[M]-	152.13190	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe